1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(4-nitrophenyl)thiourea Formula: C19H22ClN4O2S+ MolecularWeight: 405.92158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S/c20-15-3-1-14(2-4-15)13-23-11-9-17(10-12-23)22-19(27)21-16-5-7-18(8-6-16)24(25)26/h1-8,17H,9-13H2,(H2,21,22,27)/p+1